(2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
TL;DR: (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid (CAS 77449-97-9) is a chemical compound with molecular formula C7H11NO4 and molecular weight 173.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
Also Known As: Oxaceprol [INN], N-Acetyl-L-hydroxyproline, (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid, D-Proline,1-acetyl-4-hydroxy-,trans-, D-Proline, 1-acetyl-4-hydroxy-, (4S)-rel- (9CI)
| Molecular Formula | C7H11NO4 |
|---|---|
| Molecular Weight | 173.07 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.0688 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 77449-97-9 |
|---|---|
| SMILES | CC(=O)N1C[C@H](C[C@@H]1C(=O)O)O |
| InChIKey | BAPRUDZDYCKSOQ-NTSWFWBYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid (CAS 77449-97-9), with molecular formula C7H11NO4 and molecular weight 173.07 g/mol. IUPAC: (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
Property Insights of (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
The XLogP value of -1.1 indicates that (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid?
The CAS number of (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid is 77449-97-9.
What is the molecular formula of (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid?
The molecular formula of (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid is C7H11NO4.
What is the molecular weight of (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid?
The molecular weight of (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid is 173.07 g/mol.
Where can I buy (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid?
You can request a quote for (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2R,4S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.